smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCN[C@@H](c1occc1C)C1=CCCCCC1	ZINC000050328678	169288238	/nfs/dbraw/zinc/28/82/38/169288238.db2.gz	TVFQYQPGYKJVCF-OAHLLOKOSA-N	0	3	247.382	4.519	10	0		BJAEHN
CCCN[C@H](c1occc1C)C1=CCCCCC1	ZINC000050328679	169277001	/nfs/dbraw/zinc/27/70/01/169277001.db2.gz	TVFQYQPGYKJVCF-HNNXBMFYSA-N	0	3	247.382	4.519	10	0		BJAEHN
CCCN[C@@H](c1ccc(C)o1)C1=CCCCCC1	ZINC000050328686	169287911	/nfs/dbraw/zinc/28/79/11/169287911.db2.gz	TWSDQELTYMWTPO-MRXNPFEDSA-N	0	3	247.382	4.519	10	0		BJAEHN
CCCN[C@H](c1ccc(C)o1)C1=CCCCCC1	ZINC000050328687	169276739	/nfs/dbraw/zinc/27/67/39/169276739.db2.gz	TWSDQELTYMWTPO-INIZCTEOSA-N	0	3	247.382	4.519	10	0		BJAEHN
CC(C)(C)P(C1C=CC=C1)C(C)(C)C	ZINC000071789855	398331304	/nfs/dbraw/zinc/33/13/04/398331304.db2.gz	OINOJQGBSYTFFO-UHFFFAOYSA-N	0	3	210.301	4.560	10	0		BJAEHN
CNc1cc(C(C)C)nc2ccc(C(C)C)cc21	ZINC000104009949	173472821	/nfs/dbraw/zinc/47/28/21/173472821.db2.gz	WDTBDBXYWJBXIJ-UHFFFAOYSA-N	0	3	242.366	4.523	10	0		BJAEHN
CCN[C@@H](CCC1CCCCC1)c1ccc(C)o1	ZINC000104020409	170145075	/nfs/dbraw/zinc/14/50/75/170145075.db2.gz	UKUZQGQXJMQUOI-HNNXBMFYSA-N	0	3	249.398	4.599	10	0		BJAEHN
CCN[C@H](CCC1CCCCC1)c1ccc(C)o1	ZINC000104020416	170161694	/nfs/dbraw/zinc/16/16/94/170161694.db2.gz	UKUZQGQXJMQUOI-OAHLLOKOSA-N	0	3	249.398	4.599	10	0		BJAEHN
CC[C@H]1CC[C@H](CC)P1C1=CCC=C1	ZINC000504752335	529253939	/nfs/dbraw/zinc/25/39/39/529253939.db2.gz	HUBVLFZOWOSGEA-RYUDHWBXSA-N	0	3	208.285	4.663	10	0		BJAEHN
CC[C@@H]1CC[C@@H](CC)P1C1=CCC=C1	ZINC000504752336	529338126	/nfs/dbraw/zinc/33/81/26/529338126.db2.gz	HUBVLFZOWOSGEA-VXGBXAGGSA-N	0	3	208.285	4.663	10	0		BJAEHN
C=C(NC1CCCCC1)c1ccc(CCC)cc1	ZINC000584595441	358253338	/nfs/dbraw/zinc/25/33/38/358253338.db2.gz	TZFGLANNQSTOSO-UHFFFAOYSA-N	0	3	243.394	4.532	10	0		BJAEHN